2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol

C22H24FN5O — CID 67454102

IUPAC2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ncccc1-c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C22H24FN5O/c1-21(2,29)19-15(6-3-12-24-19)17-8-9-18(28-27-17)26-14-22(10-5-11-22)20-16(23)7-4-13-25-20/h3-4,6-9,12-13,29H,5,10-11,14H2,1-2H3,(H,26,28)
InChIKeyZXHSYDDIFHPGPA-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.83
Rot. Bonds6

About 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol

2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol (PubChem CID 67454102) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol
PubChem CID67454102
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ncccc1-c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C22H24FN5O/c1-21(2,29)19-15(6-3-12-24-19)17-8-9-18(28-27-17)26-14-22(10-5-11-22)20-16(23)7-4-13-25-20/h3-4,6-9,12-13,29H,5,10-11,14H2,1-2H3,(H,26,28)
InChIKeyZXHSYDDIFHPGPA-UHFFFAOYSA-N
XLogP3.83
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol (CID 67454102) is 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ncccc1-c1ccc(NCC2(c3ncccc3F)CCC2)nn1.
What is the InChIKey of 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is ZXHSYDDIFHPGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-21(2,29)19-15(6-3-12-24-19)17-8-9-18(28-27-17)26-14-22(10-5-11-22)20-16(23)7-4-13-25-20/h3-4,6-9,12-13,29H,5,10-11,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol?
2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 393.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 67454102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).